2,3,3,4,6-pentamethyloxan-4-ol

C10H20O2 — CID 156808437

IUPAC2,3,3,4,6-pentamethyloxan-4-ol
SMILESCC1CC(C)(O)C(C)(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-7-6-10(5,11)9(3,4)8(2)12-7/h7-8,11H,6H2,1-5H3
InChIKeyCOWHXPZISUBETA-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds

About 2,3,3,4,6-pentamethyloxan-4-ol

2,3,3,4,6-pentamethyloxan-4-ol (PubChem CID 156808437) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,3,3,4,6-pentamethyloxan-4-ol.

Molecular Properties

Compound Name2,3,3,4,6-pentamethyloxan-4-ol
PubChem CID156808437
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,3,3,4,6-pentamethyloxan-4-ol
SMILESCC1CC(C)(O)C(C)(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-7-6-10(5,11)9(3,4)8(2)12-7/h7-8,11H,6H2,1-5H3
InChIKeyCOWHXPZISUBETA-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-propyltetrahydro-2h-pyran-4-ol
CID 12236981
rac-(1S,3R)-3-(tert-butoxy)-7-oxaspiro[3.5]nonan-1-ol
CID 132327506
2,2-Dimethyl-4-ethyl-4-tetrahydropyranol
CID 12430717
2,2,4-Trimethyloxan-4-ol
CID 10975607
2-Tert-butyloxan-4-ol
CID 12588411
2,4,6-Trimethyloxan-4-ol
CID 18437323
2,2-Dimethyl-4-propan-2-yloxan-4-ol
CID 64138436
4-(1-Tert-butylcyclohexyl)oxybutan-2-ol
CID 70270488
2-butyltetrahydro-4,6-dimethyl-2H-pyran-4-ol
CID 3019910
4-butyl-2-methyltetrahydro-2H-pyran-4-ol
CID 3621302
2,6-Dimethyl-4-octyloxan-4-ol
CID 81852859
(2R,6S)-2,4,6-trimethyloxan-4-ol
CID 12148328

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,6-pentamethyloxan-4-ol?
The IUPAC name of 2,3,3,4,6-pentamethyloxan-4-ol (CID 156808437) is 2,3,3,4,6-pentamethyloxan-4-ol.
What is the SMILES notation for 2,3,3,4,6-pentamethyloxan-4-ol?
The canonical SMILES for 2,3,3,4,6-pentamethyloxan-4-ol is CC1CC(C)(O)C(C)(C)C(C)O1.
What is the InChIKey of 2,3,3,4,6-pentamethyloxan-4-ol?
The InChIKey is COWHXPZISUBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-6-10(5,11)9(3,4)8(2)12-7/h7-8,11H,6H2,1-5H3.
What are the key properties of 2,3,3,4,6-pentamethyloxan-4-ol?
2,3,3,4,6-pentamethyloxan-4-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,6-pentamethyloxan-4-ol is sourced from PubChem (CID 156808437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).